On Tue, 30 Jan 2007, David van der Spoel wrote:
Mark Abraham wrote:
Florian Haberl wrote:
1) how can i explaine "pH" into my system ( consisting protein & Na+
ions
) under gromacs? i'd like to reach to pH ~ 4.5 or 5 in my system.
What concentration of H+ ions are needed to get to these pH
I agree that this would be a good idea. We would need to think
carefully about how to validate it though.
On 1/30/07, Jay Mashl <[EMAIL PROTECTED]> wrote:
On Tue, 30 Jan 2007, David van der Spoel wrote:
>
> Mark Abraham wrote:
>> Florian Haberl wrote:
>>
>> > > 1) how can i explaine "pH" int
On Tue, 30 Jan 2007, David van der Spoel wrote:
Mark Abraham wrote:
Florian Haberl wrote:
> > 1) how can i explaine "pH" into my system ( consisting protein & Na+
> > ions
> > ) under gromacs? i'd like to reach to pH ~ 4.5 or 5 in my system.
What concentration of H+ ions are needed to
Mark Abraham wrote:
Florian Haberl wrote:
1) how can i explaine "pH" into my system ( consisting protein & Na+
ions
) under gromacs? i'd like to reach to pH ~ 4.5 or 5 in my system.
What concentration of H+ ions are needed to get to these pH values? Can
you do that in a system with 10^4 to
Florian Haberl wrote:
1) how can i explaine "pH" into my system ( consisting protein & Na+ ions
) under gromacs? i'd like to reach to pH ~ 4.5 or 5 in my system.
What concentration of H+ ions are needed to get to these pH values? Can
you do that in a system with 10^4 to 10^5 atoms? Even if y
hi,
please post further questions to the gromacs mailing list, i have forwarded to
it.
On Sunday, 28. January 2007 09:26, you wrote:
> Hallo Dear florian
>
> mein name ist kourosh bamdad und ich bin student, ich studire biophysik
> (Ph.D.) in Iran. ich habe zwei fragen bitte:
> 1) how can i
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